Crystallography Open Database

Information card for entry 7250340

Preview

Coordinates	7250340.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H49 Cl1.5 O4 P Yb0.5
Calculated formula	C31 H45 Cl1.5 O4 P Yb0.5
Title of publication	Different mechanisms for lanthanide(III) sensitization and Yb-field-induced single-molecule magnet behaviour in a series of pentagonal bipyramidal and octahedral lanthanide complexes with axial phosphine oxide ligands.
Authors of publication	Allia, Hadjer; Rodríguez Expósito, Ana; Palacios, Maria A.; Jiménez, Juan Ramón; Carneiro Neto, Albano; Moura Jr., Renaldo T.; Piccinelli, Fabio; Navarro, Amparo; Quesada-Moreno, María Mar; Colacio, Enrique
Journal of publication	Physical Chemistry Chemical Physics
Year of publication	2025
a	24.1565 ± 0.0011 Å
b	24.1565 ± 0.0011 Å
c	12.1744 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	7104.2 ± 0.7 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	80
Hermann-Mauguin space group symbol	I 41
Hall space group symbol	I 4bw
Residual factor for all reflections	0.0531
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1109
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
299421 (current)	2025-04-26	cif/ Adding structures of 7250340, 7250341, 7250342, 7250343, 7250344 via cif-deposit CGI script.	7250340.cif